6-chlorospiro[1H-indole-3,3'-azetidine]-2-one

C10H9ClN2O — CID 155891599

IUPAC6-chlorospiro[1H-indole-3,3'-azetidine]-2-one
SMILESO=C1Nc2cc(Cl)ccc2C12CNC2
InChIInChI=1S/C10H9ClN2O/c11-6-1-2-7-8(3-6)13-9(14)10(7)4-12-5-10/h1-3,12H,4-5H2,(H,13,14)
InChIKeyOXKBKRCLZYBZIM-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.13
Rot. Bonds

About 6-chlorospiro[1H-indole-3,3'-azetidine]-2-one

6-chlorospiro[1H-indole-3,3'-azetidine]-2-one (PubChem CID 155891599) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 6-chlorospiro[1H-indole-3,3'-azetidine]-2-one.

Molecular Properties

Compound Name6-chlorospiro[1H-indole-3,3'-azetidine]-2-one
PubChem CID155891599
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name6-chlorospiro[1H-indole-3,3'-azetidine]-2-one
SMILESO=C1Nc2cc(Cl)ccc2C12CNC2
InChIInChI=1S/C10H9ClN2O/c11-6-1-2-7-8(3-6)13-9(14)10(7)4-12-5-10/h1-3,12H,4-5H2,(H,13,14)
InChIKeyOXKBKRCLZYBZIM-UHFFFAOYSA-N
XLogP1.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride
CID 72546604
6-chloro-3,3-difluoro-1H-indol-2-one
CID 58398958
6-chloro-3,3-dimethyl-1H-indol-2-one
CID 58398957
5-chlorospiro[1H-indole-3,4'-oxane]-2-one
CID 106701967
7-chlorospiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-4-one
CID 115452160
6-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 72698788
2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one
CID 175909573
(3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one
CID 132839204
6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one
CID 67232508
2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde
CID 90105604
(3S)-6-chloro-3-piperazine-1,4-diium-1-yl-3-(trifluoromethyl)-1H-indol-2-one
CID 7013846
7-chloro-4-hydroxy-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
CID 139035379

Frequently Asked Questions

What is the IUPAC name of 6-chlorospiro[1H-indole-3,3'-azetidine]-2-one?
The IUPAC name of 6-chlorospiro[1H-indole-3,3'-azetidine]-2-one (CID 155891599) is 6-chlorospiro[1H-indole-3,3'-azetidine]-2-one.
What is the SMILES notation for 6-chlorospiro[1H-indole-3,3'-azetidine]-2-one?
The canonical SMILES for 6-chlorospiro[1H-indole-3,3'-azetidine]-2-one is O=C1Nc2cc(Cl)ccc2C12CNC2.
What is the InChIKey of 6-chlorospiro[1H-indole-3,3'-azetidine]-2-one?
The InChIKey is OXKBKRCLZYBZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-6-1-2-7-8(3-6)13-9(14)10(7)4-12-5-10/h1-3,12H,4-5H2,(H,13,14).
What are the key properties of 6-chlorospiro[1H-indole-3,3'-azetidine]-2-one?
6-chlorospiro[1H-indole-3,3'-azetidine]-2-one has a molecular weight of 208.65 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorospiro[1H-indole-3,3'-azetidine]-2-one is sourced from PubChem (CID 155891599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).